Probing the hydration structure of polarizable halides: a multiedge XAFS and molecular dynamics study of the iodide anion.

A comprehensive analysis of the H(2)O structure about aqueous iodide (I(-)) is reported from molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) measurements. This study establishes the essential ingredients of an interaction potential that reproduces the experimentally determined first-solvation shell of aqueous iodide. XAFS… CONTINUE READING